N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

• ChemBase ID: 737053
• Molecular Formular: C23H27FN2O2
• Molecular Mass: 382.4710832
• Monoisotopic Mass: 382.20565633
• SMILES: N1(C(=O)CCC(C(=O)NCCc2cc(F)ccc2)C1)CCCc1ccccc1
• Canonical SMILES: Fc1cccc(c1)CCNC(=O)C1CCC(=O)N(C1)CCCc1ccccc1
• InChI: InChI=1S/C23H27FN2O2/c24-21-10-4-8-19(16-21)13-14-25-23(28)20-11-12-22(27)26(17-20)15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16,20H,5,9,11-15,17H2,(H,25,28)
• InChIKey: UANBACZQPFMSPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
• Synonyms: N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.091015
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.49756
• LogD (pH = 7.4): 3.49756
• Log P: 3.49756
• Molar Refractivity: 108.113 cm^3
• Polarizability: 41.51735 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.5
• LOG S: -5.0
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 8